methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate

C11H20O6 — CID 101055946

IUPACmethyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate
SMILESCOCO[C@@H]1CCO[C@@](CC(=O)OC)(OC)C1
InChIInChI=1S/C11H20O6/c1-13-8-16-9-4-5-17-11(6-9,15-3)7-10(12)14-2/h9H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKeyCVGKIOJZZPWTLM-KOLCDFICSA-N
MW248.27 g/mol
LogP0.69
Rot. Bonds6

About methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate

methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate (PubChem CID 101055946) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate
PubChem CID101055946
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Namemethyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate
SMILESCOCO[C@@H]1CCO[C@@](CC(=O)OC)(OC)C1
InChIInChI=1S/C11H20O6/c1-13-8-16-9-4-5-17-11(6-9,15-3)7-10(12)14-2/h9H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKeyCVGKIOJZZPWTLM-KOLCDFICSA-N
XLogP0.69
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
CID 29941227
Ethyl 2,2-difluoro-2-(1,4,8-trioxaspiro[4.5]decan-7-yl)acetate
CID 163240151
methyl 2-[(2R,3S,4R,5R)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]acetate
CID 172214618
tert-butyl 2-[(4R,6R)-2,2,6-trimethyl-1,3-dioxan-4-yl]acetate
CID 14434698
methyl 2-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]acetate
CID 11474186
Methyl 2-[2-(2-methoxy-2-oxoethyl)-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
CID 14735319
ethyl 2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetate
CID 25059017
2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetic acid
CID 25059018
methyl (2S,3R)-3-methoxy-2-(methoxymethoxy)-4-[(2R,4R,5S)-4-methoxy-5-(methoxymethoxy)-6-oxooxan-2-yl]butanoate
CID 46944289
Methyl (3r,5r)-3-hydroxy-5-(tetrahydro-2h-pyran-2-yloxy)decanoate
CID 71747223
methyl 2-[(1S,3S,5S)-3-methoxy-6,8-dioxabicyclo[3.2.1]octan-5-yl]acetate
CID 101055956
Ethyl 2-(2-methoxyoxan-2-yl)acetate
CID 102422761

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate (CID 101055946) is methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate is COCO[C@@H]1CCO[C@@](CC(=O)OC)(OC)C1.
What is the InChIKey of methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate?
The InChIKey is CVGKIOJZZPWTLM-KOLCDFICSA-N. The full InChI is InChI=1S/C11H20O6/c1-13-8-16-9-4-5-17-11(6-9,15-3)7-10(12)14-2/h9H,4-8H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate?
methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate has a molecular weight of 248.27 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,4R)-2-methoxy-4-(methoxymethoxy)oxan-2-yl]acetate is sourced from PubChem (CID 101055946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).